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Information card for entry 4027195
Preview
Coordinates | 4027195.cif |
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Original paper (by DOI) | HTML |
Formula | C23 H25 N O4 S |
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Calculated formula | C23 H25 N O4 S |
SMILES | s1c(nc2ccccc12)c1c([C@@]23OO[C@]3(C(C)(C)CO2)C(C)(C)C)cc(O)cc1.s1c(nc2ccccc12)c1c([C@]23OO[C@@]3(C(C)(C)CO2)C(C)(C)C)cc(O)cc1 |
Title of publication | Base-Induced Chemiluminescent Decomposition of Bicyclic Dioxetanes Bearing a (Benzothiazol-2-yl)-3-hydroxyphenyl Group: A Radiationless Pathway Leading to Marked Decline of Chemiluminescence Efficiency |
Authors of publication | Masatoshi, Tanimura; Nobuko Watanabe; Hisako K. Ijuin; Masakatsu Matsumoto |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2012 |
Journal volume | 77 |
Pages of publication | 4725 - 4731 |
a | 11.143 ± 0.003 Å |
b | 12.249 ± 0.003 Å |
c | 15.112 ± 0.004 Å |
α | 90° |
β | 94.278 ± 0.008° |
γ | 90° |
Cell volume | 2056.9 ± 0.9 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/a 1 |
Hall space group symbol | -P 2yab |
Residual factor for significantly intense reflections | 0.042 |
Weighted residual factors for all reflections included in the refinement | 0.055 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4027195.html
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